SHIFTS 5.5 – Predict Nitrogen, Carbon & Proton Chemical Shifts in Proteins

SHIFTS 5.5

:: DESCRIPTION

SHIFTS takes a protein structure in Brookhaven (PDB) format, and computes proton chemical shifts from empirical formulas. It can also compute N, C`alpha`, C`beta` and C’ shifts in proteins, using a database based on DFT calculations on peptides.

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Shifts Web Version

::DEVELOPER

the Case group

:: SCREENSHOTS

N/A

:: REQUIREMENTS

:: DOWNLOAD

SHIFTS

:: MORE INFORMATION

Citation

X.P. Xu and D.A. Case.
Probing multiple effects on 15N, 13Ca, 13Cb and 13C’ chemical shifts in peptides using density functional theory.
Biopolymers 65 408-423 (2002).

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